Chemical Components in the PDB

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A1H9V : Summary

Code

A1H9V

One-letter code

X

Molecule name

~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide

Synonyms

N,N-dimethyl-1H-pyrazole-4-sulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide

Formula

C5 H9 N3 O2 S

Formal charge

0

Molecular weight

175.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN(C)[S](=O)(=O)c1c[nH]nc1
SMILES OpenEye OEToolkits 2.0.7 CN(C)S(=O)(=O)c1c[nH]nc1
Canonical SMILES CACTVS 3.385 CN(C)[S](=O)(=O)c1c[nH]nc1
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(C)S(=O)(=O)c1c[nH]nc1

IUPAC InChI

InChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)

IUPAC InChI key

HEIPZBCMZXCIPT-UHFFFAOYSA-N
A1H9V

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2024-04-29

Last modified at

2024-05-03

Status

Released

Obsoleted

Not Assigned